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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173822

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1173822
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 6
  • Element list: ['Na', 'Mg', 'Cr', 'Si', 'O', 'F']
  • Chemical System: Cr-F-Mg-Na-O-Si
  • Density: 2.985116545100285
  • Atomic Density: 0.08633836568252319
  • Unit Cell Volume: 926.5869161129348
  • Molar Volume: 6.975046044008007
  • Full Formula: Na6 Mg8 Cr2 Si16 O44 F4
  • Reduced Formula: Na3Mg4CrSi8(O11F)2
  • Formula Anonymous: AB2C3D4E8F22
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -603.5534270999999
  • Final energy per atom: -7.5444178387499985
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.